(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol

C11H18O — CID 143577466

IUPAC(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol
SMILESC=C/C(=C\C(=C)C)C(C)(C)CO
InChIInChI=1S/C11H18O/c1-6-10(7-9(2)3)11(4,5)8-12/h6-7,12H,1-2,8H2,3-5H3/b10-7+
InChIKeyHKKMXHDFEYVWFK-JXMROGBWSA-N
MW166.26 g/mol
LogP2.69
Rot. Bonds4

About (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol

(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol (PubChem CID 143577466) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol
PubChem CID143577466
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol
SMILESC=C/C(=C\C(=C)C)C(C)(C)CO
InChIInChI=1S/C11H18O/c1-6-10(7-9(2)3)11(4,5)8-12/h6-7,12H,1-2,8H2,3-5H3/b10-7+
InChIKeyHKKMXHDFEYVWFK-JXMROGBWSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-amine;propane
CID 143577407
4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane
CID 143577434
2,2,3-trimethylbut-3-en-1-ol
CID 4606994
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
(3E)-5-chloro-2,2-dimethyl-3-prop-1-en-2-ylhexa-3,5-dien-1-ol;ethane
CID 144677825
(3Z)-2,5,5-trimethyl-4-methylsulfanylhepta-1,3,6-triene
CID 121222824
(E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol
CID 143337042
(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 143951906
CID 76549260
CID 76549260
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
2-methylbuta-1,3-diene;3-methylbut-3-en-1-ol
CID 89443123
3-hydroxy-N,N,2,2-tetramethylpropanamide
CID 10510973

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol?
The IUPAC name of (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol (CID 143577466) is (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol.
What is the SMILES notation for (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol?
The canonical SMILES for (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol is C=C/C(=C\C(=C)C)C(C)(C)CO.
What is the InChIKey of (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol?
The InChIKey is HKKMXHDFEYVWFK-JXMROGBWSA-N. The full InChI is InChI=1S/C11H18O/c1-6-10(7-9(2)3)11(4,5)8-12/h6-7,12H,1-2,8H2,3-5H3/b10-7+.
What are the key properties of (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol?
(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol is sourced from PubChem (CID 143577466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).